#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvx s SER 921 N 0.00 6.79 0.00 6.15 0.15 -1.26 -4.85 113.70 120.68 1qvx s SER 921 Ca 0.00 -2.32 0.00 0.00 0.70 0.00 0.00 55.95 54.33 1qvx s SER 921 Cb 0.00 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1qvx s SER 921 CO 0.00 -1.09 0.00 0.59 1.20 0.00 0.00 173.24 173.94 1qvx n ASN 922 N 7.26 0.00 -3.19 5.45 4.13 -1.26 -4.80 115.26 122.85 1qvx n ASN 922 Ca 0.36 0.00 -0.04 0.00 1.68 0.00 0.00 54.58 56.59 1qvx n ASN 922 Cb 0.47 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.74 1qvx n ASN 922 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1qvx n ASP 923 N 0.00 -1.43 -0.14 6.41 -0.08 -1.26 -3.52 116.55 116.52 1qvx n ASP 923 Ca 0.00 -0.11 0.22 0.00 -1.51 0.00 0.00 54.79 53.39 1qvx n ASP 923 Cb 0.00 -0.23 0.34 0.00 2.34 0.00 0.00 41.12 43.56 1qvx n ASP 923 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1qvx n LYS 924 N -0.55 0.01 0.05 -0.67 0.00 -1.26 0.68 118.16 116.43 1qvx n LYS 924 Ca 0.02 0.88 -0.11 0.00 0.00 0.00 0.00 58.31 59.09 1qvx n LYS 924 Cb 0.07 -2.20 -0.05 0.00 0.00 0.00 0.00 35.03 32.86 1qvx n LYS 924 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 1qvx h VAL 925 N 0.00 0.65 0.00 3.15 -1.51 -1.88 0.63 116.25 117.29 1qvx h VAL 925 Ca 0.38 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.77 1qvx h VAL 925 Cb 2.46 0.65 -0.01 0.00 -2.13 0.00 0.00 31.29 32.26 1qvx h VAL 925 CO -0.00 0.00 -0.43 0.22 -1.23 0.00 0.00 177.57 176.13 1qvx h TYR 926 N -0.24 0.00 0.26 5.19 3.20 0.21 -3.00 116.97 122.59 1qvx h TYR 926 Ca 0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1qvx h TYR 926 Cb 0.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1qvx h TYR 926 CO -0.20 0.43 -0.13 0.93 -1.64 0.00 0.00 178.16 177.55 1qvx h GLU 927 N 0.00 -0.34 -0.01 1.82 4.39 -1.33 -2.86 114.58 116.24 1qvx h GLU 927 Ca -0.00 0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.57 1qvx h GLU 927 Cb 0.77 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 1qvx h GLU 927 CO 0.06 -0.23 -0.67 -2.95 -1.16 0.00 0.00 179.01 174.06 1qvx h ASN 928 N -0.54 0.07 -0.48 1.42 -1.07 -0.99 -0.32 115.58 113.68 1qvx h ASN 928 Ca -0.04 -0.04 -0.06 0.00 0.07 0.00 0.00 56.30 56.23 1qvx h ASN 928 Cb 0.27 -0.02 -0.02 0.00 -2.07 0.00 0.00 38.32 36.48 1qvx h ASN 928 CO 0.06 0.72 0.11 0.58 0.07 0.00 0.00 177.43 178.97 1qvx h VAL 929 N 0.04 1.23 0.00 6.14 2.07 -1.66 0.32 116.25 124.39 1qvx h VAL 929 Ca -0.01 -0.85 -0.11 0.00 0.82 0.00 0.00 66.70 66.55 1qvx h VAL 929 Cb 1.19 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1qvx h VAL 929 CO 0.09 0.32 -0.53 0.71 0.02 0.00 0.00 177.57 178.17 1qvx h THR 930 N 0.80 1.19 -0.12 2.57 1.35 -1.26 -1.83 112.91 115.60 1qvx h THR 930 Ca 0.17 -1.96 0.04 0.00 -0.55 0.00 0.00 66.41 64.11 1qvx h THR 930 Cb 0.32 2.12 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1qvx h THR 930 CO 0.00 0.52 0.10 1.23 -0.25 0.00 0.00 175.52 177.12 1qvx h GLY 931 N 2.12 0.00 0.91 5.82 0.00 0.80 -0.01 103.07 112.71 1qvx h GLY 931 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.27 1qvx h GLY 931 CO 0.07 0.00 0.01 -2.00 0.00 0.00 0.00 176.54 174.62 1qvx h LEU 932 N 0.00 0.58 -1.20 3.11 6.46 0.43 0.16 115.31 124.84 1qvx h LEU 932 Ca 0.06 -0.30 0.06 0.00 -0.12 0.00 0.00 57.88 57.58 1qvx h LEU 932 Cb 0.26 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 39.98 1qvx h LEU 932 CO -0.00 0.74 0.56 0.58 -0.62 0.00 0.00 178.44 179.70 1qvx h VAL 933 N 0.41 1.08 -0.50 1.05 2.07 -1.20 0.01 116.25 119.16 1qvx h VAL 933 Ca 0.10 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1qvx h VAL 933 Cb 0.43 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1qvx h VAL 933 CO 0.02 0.18 0.16 0.11 0.02 0.00 0.00 177.57 178.05 1qvx h LYS 934 N 0.98 0.74 0.00 1.57 1.79 -0.36 -1.30 116.57 120.00 1qvx h LYS 934 Ca 0.36 -0.13 -0.09 0.00 -2.18 0.00 0.00 60.65 58.61 1qvx h LYS 934 Cb 0.16 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1qvx h LYS 934 CO -0.13 0.65 -0.43 0.00 -1.08 0.00 0.00 179.45 178.46 1qvx h ALA 935 N 1.45 0.87 0.00 3.86 0.00 0.81 -0.98 119.26 125.26 1qvx h ALA 935 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1qvx h ALA 935 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1qvx h ALA 935 CO -0.01 0.54 -0.13 -0.24 0.00 0.00 0.00 179.25 179.41 1qvx h VAL 936 N 0.00 0.00 -0.32 0.00 3.04 -0.66 -2.33 116.25 115.98 1qvx h VAL 936 Ca -0.00 -0.64 -0.14 0.00 -1.01 0.00 0.00 66.70 64.91 1qvx h VAL 936 Cb 1.08 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.91 1qvx h VAL 936 CO 0.06 0.00 -0.36 0.40 -1.01 0.00 0.00 177.57 176.65 1qvx h ILE 937 N 0.00 1.29 -0.90 3.17 1.08 -0.46 -2.58 117.51 119.10 1qvx h ILE 937 Ca 0.00 -1.52 0.15 0.00 -0.39 0.00 0.00 64.86 63.09 1qvx h ILE 937 Cb 0.82 1.43 -0.07 0.00 -3.07 0.00 0.00 36.82 35.93 1qvx h ILE 937 CO 0.00 0.50 0.58 -0.33 -0.69 0.00 0.00 178.15 178.21 1qvx h GLU 938 N 0.60 0.68 -0.47 2.37 4.39 -0.68 0.18 114.58 121.65 1qvx h GLU 938 Ca 0.06 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.74 1qvx h GLU 938 Cb 0.90 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1qvx h GLU 938 CO 0.08 0.45 0.28 1.98 -1.16 0.00 0.00 179.01 180.64 1qvx h MET 939 N 0.70 0.55 0.00 2.33 4.05 -1.06 0.63 114.93 122.13 1qvx h MET 939 Ca 0.46 -0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.74 1qvx h MET 939 Cb 0.73 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.40 1qvx h MET 939 CO -0.22 0.36 -0.51 0.77 0.23 0.00 0.00 176.91 177.54 1qvx h SER 940 N 0.56 0.00 0.08 1.39 0.02 -1.23 -2.63 113.55 111.74 1qvx h SER 940 Ca 0.19 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.88 1qvx h SER 940 Cb 0.01 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.58 1qvx h SER 940 CO -0.08 0.51 -1.06 0.28 -1.14 0.00 0.00 176.83 175.33 1qvx h SER 941 N 0.00 0.79 -0.81 3.07 0.02 0.08 -3.11 113.55 113.60 1qvx h SER 941 Ca -0.01 -0.81 0.02 0.00 -0.84 0.00 0.00 61.79 60.16 1qvx h SER 941 Cb 0.99 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 1qvx h SER 941 CO 0.07 1.52 0.53 0.11 -1.14 0.00 0.00 176.83 177.91 1qvx h LYS 942 N 0.17 1.01 0.00 3.45 1.79 0.26 -2.29 116.57 120.96 1qvx h LYS 942 Ca -0.16 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.20 1qvx h LYS 942 Cb 1.75 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 32.17 1qvx h LYS 942 CO 0.21 0.67 -0.27 0.97 -1.08 0.00 0.00 179.45 179.95 1qvx h ILE 943 N 1.04 0.65 0.44 1.86 2.10 -1.48 -2.76 117.51 119.36 1qvx h ILE 943 Ca 0.31 -1.23 -0.02 0.00 1.08 0.00 0.00 64.86 65.01 1qvx h ILE 943 Cb -0.05 1.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.48 1qvx h ILE 943 CO -0.09 0.26 -0.37 1.56 -1.08 0.00 0.00 178.15 178.42 1qvx h GLN 944 N 0.00 -0.76 -0.69 2.19 4.20 -1.34 -3.26 115.11 115.44 1qvx h GLN 944 Ca -0.00 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1qvx h GLN 944 Cb 0.79 0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1qvx h GLN 944 CO 0.03 -0.51 0.00 -0.35 -0.67 0.00 0.00 178.83 177.34 1qvx n PRO 945 N -4.68 3.21 -4.21 1.46 -0.04 -1.24 -4.98 135.00 124.53 1qvx n PRO 945 Ca -0.10 -2.77 -0.16 0.00 -0.04 0.00 0.00 63.50 60.43 1qvx n PRO 945 Cb 0.35 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 31.98 1qvx n PRO 945 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qvx s ALA 946 N -1.40 1.28 0.34 0.55 0.00 -1.04 -5.14 121.76 116.35 1qvx s ALA 946 Ca 0.50 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.22 1qvx s ALA 946 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1qvx s ALA 946 CO 0.29 0.02 0.00 -0.35 0.00 0.00 0.00 175.76 175.72 1qvx n PRO 947 N 0.52 0.76 -0.28 0.00 -0.04 -1.26 -4.66 135.00 130.03 1qvx n PRO 947 Ca -0.16 0.00 0.28 0.00 -0.04 0.00 0.00 63.50 63.58 1qvx n PRO 947 Cb 0.58 0.00 0.63 0.00 -0.04 0.00 0.00 33.50 34.67 1qvx n PRO 947 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1qvx h PRO 948 N 0.00 0.18 -0.06 0.54 0.11 -1.98 0.35 132.00 131.14 1qvx h PRO 948 Ca 0.00 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.12 1qvx h PRO 948 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 1qvx h PRO 948 CO 0.00 0.12 0.33 0.93 -0.21 0.00 0.00 178.00 179.17 1qvx h GLU 949 N 0.18 0.00 -0.00 1.05 4.39 -2.00 0.88 114.58 119.08 1qvx h GLU 949 Ca 0.53 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.23 1qvx h GLU 949 Cb 1.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1qvx h GLU 949 CO -0.13 0.00 -0.04 0.39 -1.16 0.00 0.00 179.01 178.07 1qvx n GLU 950 N -3.03 4.25 -0.09 2.33 4.71 0.11 -4.36 120.64 124.57 1qvx n GLU 950 Ca -0.01 -0.19 -0.06 0.00 -0.01 0.00 0.00 57.16 56.89 1qvx n GLU 950 Cb 0.40 -0.71 0.01 0.00 -1.01 0.00 0.00 31.44 30.12 1qvx n GLU 950 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 1qvx h TYR 951 N 0.09 0.08 0.01 -0.32 -1.99 0.11 0.65 116.97 115.60 1qvx h TYR 951 Ca 0.00 0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.61 1qvx h TYR 951 Cb 0.04 0.01 0.01 0.00 2.00 0.00 0.00 36.73 38.79 1qvx h TYR 951 CO 0.00 0.01 -0.57 -0.24 -0.00 0.00 0.00 178.16 177.36 1qvx h VAL 952 N 0.16 1.45 -0.39 -2.88 3.04 -1.81 -3.14 116.25 112.68 1qvx h VAL 952 Ca 0.15 -2.09 0.11 0.00 -1.01 0.00 0.00 66.70 63.86 1qvx h VAL 952 Cb 0.17 2.65 -0.02 0.00 -2.01 0.00 0.00 31.29 32.09 1qvx h VAL 952 CO -0.21 0.60 0.33 -0.65 -1.01 0.00 0.00 177.57 176.63 1qvx h PRO 953 N -0.17 0.00 -0.22 4.17 0.11 -1.72 0.21 132.00 134.38 1qvx h PRO 953 Ca -0.07 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.96 1qvx h PRO 953 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1qvx h PRO 953 CO 0.11 0.00 -0.18 0.00 -0.21 0.00 0.00 178.00 177.72 1qvx h MET 954 N 0.00 0.50 -0.01 1.05 -0.00 0.28 -1.26 114.93 115.49 1qvx h MET 954 Ca 0.18 -0.25 0.00 0.00 -0.00 0.00 0.00 59.70 59.63 1qvx h MET 954 Cb 0.84 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.44 1qvx h MET 954 CO -0.00 0.82 0.01 0.28 -0.00 0.00 0.00 176.91 178.02 1qvx h VAL 955 N 0.19 0.76 -0.19 -0.10 2.07 -1.26 -0.93 116.25 116.80 1qvx h VAL 955 Ca 0.04 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 1qvx h VAL 955 Cb 0.71 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1qvx h VAL 955 CO 0.05 0.00 -0.23 0.50 0.02 0.00 0.00 177.57 177.91 1qvx h LYS 956 N 0.00 0.34 -0.57 1.57 3.64 0.38 -1.62 116.57 120.31 1qvx h LYS 956 Ca 0.00 -0.11 0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1qvx h LYS 956 Cb 0.02 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 1qvx h LYS 956 CO -0.00 0.55 0.27 0.93 -2.27 0.00 0.00 179.45 178.93 1qvx h GLU 957 N 0.31 0.49 0.00 1.90 4.39 -0.07 0.46 114.58 122.05 1qvx h GLU 957 Ca 0.05 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1qvx h GLU 957 Cb 0.57 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1qvx h GLU 957 CO 0.04 0.32 -0.26 -0.39 -1.16 0.00 0.00 179.01 177.56 1qvx h VAL 958 N 0.50 0.69 -0.10 3.13 -1.51 -1.40 -1.25 116.25 116.31 1qvx h VAL 958 Ca 0.26 -1.16 -0.14 0.00 -1.23 0.00 0.00 66.70 64.43 1qvx h VAL 958 Cb 0.22 1.75 0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1qvx h VAL 958 CO -0.21 0.26 -0.48 1.23 -1.23 0.00 0.00 177.57 177.14 1qvx h GLY 959 N 1.84 0.55 2.00 5.19 0.00 -0.10 -1.00 103.07 111.54 1qvx h GLY 959 Ca -0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.53 1qvx h GLY 959 CO 0.03 0.69 -0.07 1.41 0.00 0.00 0.00 176.54 178.61 1qvx h LEU 960 N 0.09 0.00 -0.01 3.11 3.38 -0.11 0.81 115.31 122.57 1qvx h LEU 960 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qvx h LEU 960 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1qvx h LEU 960 CO 0.10 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.70 1qvx h ALA 961 N 1.93 0.02 -0.94 1.53 0.00 -0.79 0.27 119.26 121.28 1qvx h ALA 961 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1qvx h ALA 961 Cb 0.20 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1qvx h ALA 961 CO 0.01 -0.34 0.62 1.25 0.00 0.00 0.00 179.25 180.79 1qvx h LEU 962 N -0.25 1.07 0.17 0.00 5.85 -0.42 0.79 115.31 122.51 1qvx h LEU 962 Ca 0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1qvx h LEU 962 Cb 0.28 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1qvx h LEU 962 CO 0.00 0.77 -0.32 -0.09 -0.34 0.00 0.00 178.44 178.46 1qvx h ARG 963 N 1.26 -0.55 -0.81 1.25 9.65 -0.71 0.35 114.38 124.82 1qvx h ARG 963 Ca 0.35 0.04 0.09 0.00 -1.10 0.00 0.00 59.98 59.35 1qvx h ARG 963 Cb -0.13 0.12 -0.07 0.00 -1.39 0.00 0.00 29.97 28.51 1qvx h ARG 963 CO -0.08 -0.36 0.47 1.15 2.80 0.00 0.00 179.97 183.95 1qvx h THR 964 N -0.57 0.94 -1.00 0.20 2.02 -0.11 -1.02 112.91 113.37 1qvx h THR 964 Ca 0.02 -0.28 0.12 0.00 0.77 0.00 0.00 66.41 67.04 1qvx h THR 964 Cb 0.58 0.06 -0.09 0.00 -1.74 0.00 0.00 68.15 66.96 1qvx h THR 964 CO -0.16 0.15 0.63 0.25 0.37 0.00 0.00 175.52 176.76 1qvx h LEU 965 N 0.81 0.92 -1.67 2.58 5.85 0.12 -1.27 115.31 122.65 1qvx h LEU 965 Ca 0.38 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.16 1qvx h LEU 965 Cb 0.31 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1qvx h LEU 965 CO -0.23 0.48 0.23 0.25 -0.34 0.00 0.00 178.44 178.84 1qvx h LEU 966 N 0.98 0.39 -1.06 2.25 6.46 0.11 0.11 115.31 124.55 1qvx h LEU 966 Ca 0.50 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.22 1qvx h LEU 966 Cb 0.50 -0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.30 1qvx h LEU 966 CO -0.27 0.28 0.28 0.00 -0.62 0.00 0.00 178.44 178.11 1qvx h ALA 967 N 1.78 1.26 -0.14 1.25 0.00 -1.09 -1.73 119.26 120.60 1qvx h ALA 967 Ca 0.13 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1qvx h ALA 967 Cb -0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1qvx h ALA 967 CO -0.03 0.55 -0.51 1.15 0.00 0.00 0.00 179.25 180.41 1qvx h THR 968 N 0.94 1.34 -0.44 0.00 2.02 -0.82 -2.27 112.91 113.68 1qvx h THR 968 Ca 0.22 -1.76 0.12 0.00 0.77 0.00 0.00 66.41 65.77 1qvx h THR 968 Cb 0.15 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1qvx h THR 968 CO -0.02 0.53 0.31 0.58 0.37 0.00 0.00 175.52 177.29 1qvx h VAL 969 N 0.29 0.80 0.00 3.16 2.07 -0.13 0.55 116.25 122.99 1qvx h VAL 969 Ca 0.01 -0.01 -0.21 0.00 0.82 0.00 0.00 66.70 67.31 1qvx h VAL 969 Cb 1.00 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1qvx h VAL 969 CO 0.09 0.01 -1.01 -0.78 0.02 0.00 0.00 177.57 175.89 1qvx h ASP 970 N 0.03 0.00 -0.30 0.57 3.58 -0.82 0.55 116.42 120.03 1qvx h ASP 970 Ca 0.21 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.55 1qvx h ASP 970 Cb 0.79 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 1qvx h ASP 970 CO -0.01 0.95 -0.25 -0.33 -2.88 0.00 0.00 179.24 176.73 1qvx h GLU 971 N 0.00 0.69 0.00 0.28 4.39 -0.80 -2.70 114.58 116.44 1qvx h GLU 971 Ca -0.03 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 1qvx h GLU 971 Cb 1.75 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1qvx h GLU 971 CO 0.12 0.96 -0.11 1.03 -1.16 0.00 0.00 179.01 179.85 1qvx h SER 972 N 0.44 0.00 0.25 1.42 0.87 0.07 -3.21 113.55 113.38 1qvx h SER 972 Ca 0.05 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1qvx h SER 972 Cb 0.81 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 1qvx h SER 972 CO 0.06 0.11 -0.18 0.25 -0.53 0.00 0.00 176.83 176.54 1qvx h LEU 973 N 0.00 -0.48 -1.53 2.23 6.46 0.47 0.35 115.31 122.81 1qvx h LEU 973 Ca -0.00 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1qvx h LEU 973 Cb 0.48 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 1qvx h LEU 973 CO 0.01 -0.29 0.33 -0.65 -0.62 0.00 0.00 178.44 177.22 1qvx h PRO 974 N -0.44 0.62 0.00 5.25 0.11 -1.63 -1.77 132.00 134.14 1qvx h PRO 974 Ca -0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1qvx h PRO 974 Cb 0.38 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1qvx h PRO 974 CO -0.00 0.41 0.00 1.33 -0.21 0.00 0.00 178.00 179.53 1qvx n VAL 975 N -4.47 0.29 0.12 3.15 0.24 -0.82 -3.32 118.33 113.52 1qvx n VAL 975 Ca 0.05 0.06 -0.24 0.00 -2.04 0.00 0.00 64.34 62.17 1qvx n VAL 975 Cb 0.07 -0.64 -0.16 0.00 -1.47 0.00 0.00 33.84 31.65 1qvx n VAL 975 CO 0.00 0.00 0.00 0.17 -2.14 0.00 0.00 176.83 174.86 1qvx h LEU 976 N 0.00 0.76 -1.15 1.34 8.10 0.62 0.15 115.31 125.13 1qvx h LEU 976 Ca 0.00 -0.93 -0.07 0.00 0.11 0.00 0.00 57.88 56.99 1qvx h LEU 976 Cb 0.44 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.40 1qvx h LEU 976 CO 0.00 1.74 -0.36 1.55 -4.11 0.00 0.00 178.44 177.26 1qvx h PRO 977 N 0.12 0.00 0.65 0.17 0.13 -1.64 0.15 132.00 131.57 1qvx h PRO 977 Ca -0.29 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1qvx h PRO 977 Cb 2.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 33.26 1qvx h PRO 977 CO 0.24 0.36 -0.42 0.00 -0.23 0.00 0.00 178.00 177.95 1qvx h ALA 978 N 1.64 -1.05 0.00 -0.56 0.00 -1.54 -3.45 119.26 114.30 1qvx h ALA 978 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1qvx h ALA 978 Cb 0.77 0.53 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1qvx h ALA 978 CO 0.05 -1.11 0.00 0.43 0.00 0.00 0.00 179.25 178.62 1qvx n SER 979 N -5.55 0.00 0.08 0.00 7.64 -0.48 -4.63 113.62 110.69 1qvx n SER 979 Ca -0.13 -0.21 0.05 0.00 1.01 0.00 0.00 58.87 59.59 1qvx n SER 979 Cb 0.44 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.61 1qvx n SER 979 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1qvx h THR 980 N 0.21 0.33 -0.97 0.44 2.02 -0.08 -3.38 112.91 111.49 1qvx h THR 980 Ca 0.00 -1.60 0.24 0.00 0.77 0.00 0.00 66.41 65.81 1qvx h THR 980 Cb 0.10 1.89 -0.07 0.00 -1.74 0.00 0.00 68.15 68.33 1qvx h THR 980 CO 0.00 0.19 0.64 -0.74 0.37 0.00 0.00 175.52 175.98 1qvx h HIS 981 N 0.00 0.53 0.29 3.16 6.17 -0.96 0.52 115.15 124.86 1qvx h HIS 981 Ca -0.07 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.01 1qvx h HIS 981 Cb 1.31 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 31.09 1qvx h HIS 981 CO 0.00 0.10 -0.15 0.00 0.71 0.00 0.00 177.93 178.59 1qvx h ARG 982 N 0.36 -0.39 -0.02 5.26 3.08 -1.83 -2.73 114.38 118.13 1qvx h ARG 982 Ca 0.52 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.54 1qvx h ARG 982 Cb 1.37 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.51 1qvx h ARG 982 CO -0.20 -0.26 -0.19 1.49 -1.07 0.00 0.00 179.97 179.74 1qvx h GLU 983 N -0.40 0.16 -0.95 0.04 4.57 -0.64 -3.09 114.58 114.26 1qvx h GLU 983 Ca -0.04 -0.15 0.12 0.00 -1.18 0.00 0.00 59.36 58.12 1qvx h GLU 983 Cb 0.31 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 28.86 1qvx h GLU 983 CO 0.06 0.85 0.60 0.97 -1.18 0.00 0.00 179.01 180.31 1qvx h ILE 984 N -0.49 0.91 0.00 2.32 6.09 -0.27 0.19 117.51 126.27 1qvx h ILE 984 Ca -0.02 -0.31 -0.11 0.00 -1.37 0.00 0.00 64.86 63.06 1qvx h ILE 984 Cb 0.91 -0.06 -0.02 0.00 0.47 0.00 0.00 36.82 38.12 1qvx h ILE 984 CO 0.04 0.16 -0.51 -0.33 -3.07 0.00 0.00 178.15 174.45 1qvx h GLU 985 N 0.89 0.00 0.04 2.19 4.39 -1.56 0.28 114.58 120.81 1qvx h GLU 985 Ca 0.46 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.16 1qvx h GLU 985 Cb 0.53 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1qvx h GLU 985 CO -0.23 0.51 -0.02 0.00 -1.16 0.00 0.00 179.01 178.11 1qvx h MET 986 N 0.00 -0.06 0.19 2.33 -0.00 -0.54 -2.60 114.93 114.26 1qvx h MET 986 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 59.70 59.45 1qvx h MET 986 Cb 1.05 0.01 0.03 0.00 -0.00 0.00 0.00 31.60 32.69 1qvx h MET 986 CO 0.07 0.13 -1.12 0.00 -0.00 0.00 0.00 176.91 175.99 1qvx h ALA 987 N 0.71 -0.11 -0.70 -3.00 0.00 -1.46 -3.06 119.26 111.64 1qvx h ALA 987 Ca -0.01 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.11 1qvx h ALA 987 Cb 0.21 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1qvx h ALA 987 CO 0.01 0.53 0.38 0.37 0.00 0.00 0.00 179.25 180.54 1qvx h GLN 988 N -0.15 0.97 -0.57 0.00 -0.00 -0.51 1.02 115.11 115.87 1qvx h GLN 988 Ca -0.20 -0.11 -0.08 0.00 -0.00 0.00 0.00 58.65 58.26 1qvx h GLN 988 Cb 1.87 -0.19 -0.02 0.00 0.00 0.00 0.00 27.48 29.14 1qvx h GLN 988 CO 0.20 0.73 0.06 -0.22 0.00 0.00 0.00 178.83 179.60 1qvx h LYS 989 N 0.96 0.96 -0.02 1.69 3.11 -1.61 0.23 116.57 121.88 1qvx h LYS 989 Ca 0.25 -0.27 0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1qvx h LYS 989 Cb 0.04 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.15 1qvx h LYS 989 CO -0.04 0.93 -0.04 1.25 -2.81 0.00 0.00 179.45 178.74 1qvx h LEU 990 N 0.85 -0.11 -0.56 5.20 5.85 -1.03 -2.42 115.31 123.09 1qvx h LEU 990 Ca 0.17 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 1qvx h LEU 990 Cb 0.46 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1qvx h LEU 990 CO 0.02 -0.06 -0.68 0.17 -0.34 0.00 0.00 178.44 177.55 1qvx h LEU 991 N -0.06 0.00 -0.70 2.25 8.10 0.11 -2.27 115.31 122.74 1qvx h LEU 991 Ca 0.02 0.00 0.04 0.00 0.11 0.00 0.00 57.88 58.05 1qvx h LEU 991 Cb 0.09 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.26 1qvx h LEU 991 CO -0.05 0.68 0.43 -1.13 -4.11 0.00 0.00 178.44 174.25 1qvx h ASN 992 N 0.00 0.69 1.03 0.17 -0.73 -0.82 0.97 115.58 116.89 1qvx h ASN 992 Ca -0.01 0.01 -0.13 0.00 1.87 0.00 0.00 56.30 58.04 1qvx h ASN 992 Cb 1.25 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 39.68 1qvx h ASN 992 CO 0.09 0.47 -0.60 0.28 -0.37 0.00 0.00 177.43 177.30 1qvx h SER 993 N 0.82 0.00 0.00 1.15 0.02 -0.99 -3.06 113.55 111.49 1qvx h SER 993 Ca 0.29 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.90 1qvx h SER 993 Cb 0.07 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.55 1qvx h SER 993 CO -0.13 0.60 -2.22 0.47 -1.14 0.00 0.00 176.83 174.42 1qvx n ASP 994 N -3.44 2.00 -0.04 3.07 8.00 -0.90 -2.75 116.55 122.49 1qvx n ASP 994 Ca 0.00 0.07 -0.08 0.00 0.71 0.00 0.00 54.79 55.49 1qvx n ASP 994 Cb 0.69 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 1qvx n ASP 994 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1qvx h LEU 995 N -0.38 -0.22 -0.51 0.64 7.12 -0.99 0.07 115.31 121.05 1qvx h LEU 995 Ca -0.51 0.06 0.04 0.00 0.13 0.00 0.00 57.88 57.60 1qvx h LEU 995 Cb 1.61 0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 41.84 1qvx h LEU 995 CO -0.20 -0.08 0.26 0.00 -0.13 0.00 0.00 178.44 178.29 1qvx h ALA 996 N 1.17 0.65 -0.48 1.25 0.00 -1.64 -2.25 119.26 117.96 1qvx h ALA 996 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1qvx h ALA 996 Cb 0.17 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1qvx h ALA 996 CO -0.21 -0.08 0.22 1.49 0.00 0.00 0.00 179.25 180.67 1qvx h GLU 997 N 0.52 0.68 -0.14 0.00 4.81 -1.21 -2.87 114.58 116.36 1qvx h GLU 997 Ca 0.22 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 59.19 1qvx h GLU 997 Cb 0.11 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1qvx h GLU 997 CO -0.14 0.54 -0.64 1.25 -0.73 0.00 0.00 179.01 179.28 1qvx h LEU 998 N 0.68 0.61 -1.67 1.64 7.12 -0.44 0.34 115.31 123.59 1qvx h LEU 998 Ca 0.17 -0.36 -0.04 0.00 0.13 0.00 0.00 57.88 57.78 1qvx h LEU 998 Cb 0.09 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.04 1qvx h LEU 998 CO -0.02 1.09 -0.19 0.16 -0.13 0.00 0.00 178.44 179.35 1qvx h ILE 999 N 0.38 0.84 -0.01 4.05 3.07 -1.23 0.70 117.51 125.32 1qvx h ILE 999 Ca -0.01 -0.74 0.00 0.00 1.55 0.00 0.00 64.86 65.66 1qvx h ILE 999 Cb 1.21 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.19 1qvx h ILE 999 CO 0.12 0.19 -0.41 0.59 -1.05 0.00 0.00 178.15 177.59 1qvx n ASN 1000N -3.88 1.18 -0.04 2.16 3.02 -0.90 -2.80 115.26 113.99 1qvx n ASN 1000Ca -0.02 -0.95 -0.20 0.00 -0.03 0.00 0.00 54.58 53.38 1qvx n ASN 1000Cb 0.28 0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 39.63 1qvx n ASN 1000CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1qvx h LYS 1001N 1.21 0.13 0.07 3.52 1.63 0.20 0.60 116.57 123.94 1qvx h LYS 1001Ca 0.00 -0.22 -0.25 0.00 -0.85 0.00 0.00 60.65 59.34 1qvx h LYS 1001Cb 0.56 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.27 1qvx h LYS 1001CO 0.00 1.10 -1.13 1.98 -3.45 0.00 0.00 179.45 177.95 1qvx h MET 1002N -0.65 0.16 -0.31 1.90 4.05 -1.53 0.42 114.93 118.97 1qvx h MET 1002Ca -0.24 -0.27 0.05 0.00 -0.28 0.00 0.00 59.70 58.96 1qvx h MET 1002Cb 1.46 0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 32.32 1qvx h MET 1002CO -0.02 1.12 0.01 -0.22 0.23 0.00 0.00 176.91 178.03 1qvx h LYS 1003N 0.05 0.10 -0.24 0.39 3.64 -1.63 0.82 116.57 119.69 1qvx h LYS 1003Ca -0.08 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1qvx h LYS 1003Cb 1.88 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 33.62 1qvx h LYS 1003CO 0.17 0.06 -0.12 1.25 -2.27 0.00 0.00 179.45 178.55 1qvx h LEU 1004N 0.10 -0.39 -0.41 5.20 5.85 -0.79 0.66 115.31 125.53 1qvx h LEU 1004Ca 0.15 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1qvx h LEU 1004Cb 0.19 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1qvx h LEU 1004CO -0.24 -0.15 0.22 0.00 -0.34 0.00 0.00 178.44 177.93 1qvx h ALA 1005N 1.12 0.51 0.00 1.25 0.00 -0.05 0.76 119.26 122.85 1qvx h ALA 1005Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1qvx h ALA 1005Cb 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1qvx h ALA 1005CO -0.30 -0.12 0.00 1.04 0.00 0.00 0.00 179.25 179.87 1qvx n GLN 1006N -4.89 0.21 0.00 0.00 1.13 0.28 -0.12 117.38 113.98 1qvx n GLN 1006Ca 0.02 0.05 0.12 0.00 -1.94 0.00 0.00 57.00 55.25 1qvx n GLN 1006Cb 0.08 -1.50 0.27 0.00 0.11 0.00 0.00 30.24 29.20 1qvx n GLN 1006CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1qvx n GLN 1007N -1.38 0.10 -0.11 -1.09 -0.06 0.23 -3.81 117.38 111.26 1qvx n GLN 1007Ca 0.10 -0.06 0.02 0.00 -2.00 0.00 0.00 57.00 55.06 1qvx n GLN 1007Cb 0.25 -1.50 0.02 0.00 -4.06 0.00 0.00 30.24 24.95 1qvx n GLN 1007CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 1qvx n TYR 1008N -1.40 0.00 -1.49 3.69 9.36 -0.25 -5.02 117.16 122.05 1qvx n TYR 1008Ca 0.06 -0.31 -0.47 0.00 3.32 0.00 0.00 57.90 60.50 1qvx n TYR 1008Cb 0.34 -0.05 -0.06 0.00 -0.63 0.00 0.00 39.34 38.94 1qvx n TYR 1008CO 0.00 0.00 0.00 1.55 0.22 0.00 0.00 176.86 178.63 1qvx n VAL 1009N -0.39 0.20 -3.82 2.97 3.14 0.82 -4.36 118.33 116.90 1qvx n VAL 1009Ca 0.03 -0.34 -0.11 0.00 -2.96 0.00 0.00 64.34 60.96 1qvx n VAL 1009Cb 0.49 -1.92 -0.08 0.00 -1.06 0.00 0.00 33.84 31.27 1qvx n VAL 1009CO 0.00 0.00 0.00 -0.32 -6.46 0.00 0.00 176.83 170.05 1qvx s MET 1010N 6.49 0.71 -0.21 1.45 0.00 -1.26 -4.92 119.30 121.56 1qvx s MET 1010Ca 1.08 -0.56 -0.37 0.00 0.00 0.00 0.00 55.69 55.84 1qvx s MET 1010Cb -0.69 0.30 -0.13 0.00 0.00 0.00 0.00 34.83 34.30 1qvx s MET 1010CO 0.44 -0.21 1.87 2.41 0.00 0.00 0.00 175.02 179.53 1qvx n THR 1011N 0.73 0.42 0.00 10.11 -1.04 -1.26 -0.34 114.28 122.89 1qvx n THR 1011Ca -0.19 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1qvx n THR 1011Cb 0.59 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 1qvx n THR 1011CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1qvx n SER 1012N 6.57 0.00 0.24 8.00 2.88 -1.26 -4.57 113.62 125.48 1qvx n SER 1012Ca 0.27 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.97 1qvx n SER 1012Cb 0.22 0.00 0.80 0.00 -0.75 0.00 0.00 64.21 64.48 1qvx n SER 1012CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1qvx h LEU 1013N 0.00 0.00 -0.69 2.46 -0.00 -1.79 -2.26 115.31 113.04 1qvx h LEU 1013Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.90 1qvx h LEU 1013Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.62 1qvx h LEU 1013CO 0.00 0.00 0.44 -0.61 -0.00 0.00 0.00 178.44 178.27 1qvx h GLN 1014N 0.00 0.85 0.00 1.13 -0.00 -0.88 -2.29 115.11 113.91 1qvx h GLN 1014Ca 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.58 1qvx h GLN 1014Cb 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 27.48 27.47 1qvx h GLN 1014CO 0.00 0.56 -0.07 -0.56 0.00 0.00 0.00 178.83 178.76 1qvx h GLN 1015N 0.87 0.00 0.41 1.69 3.07 -1.68 -0.41 115.11 119.07 1qvx h GLN 1015Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.00 1qvx h GLN 1015Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.52 1qvx h GLN 1015CO -0.09 0.07 -0.29 1.49 0.09 0.00 0.00 178.83 180.10 1qvx h GLU 1016N 0.00 -0.67 0.00 0.06 4.81 -1.53 0.34 114.58 117.59 1qvx h GLU 1016Ca -0.00 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1qvx h GLU 1016Cb 0.45 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1qvx h GLU 1016CO 0.01 -0.44 0.00 1.88 -0.73 0.00 0.00 179.01 179.73 1qvx h TYR 1017N -0.69 0.00 0.11 0.92 -1.99 -1.45 -2.85 116.97 111.01 1qvx h TYR 1017Ca -0.04 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.46 1qvx h TYR 1017Cb 0.59 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.34 1qvx h TYR 1017CO -0.13 0.00 -0.97 -0.22 -0.00 0.00 0.00 178.16 176.85 1qvx h LYS 1018N 0.00 0.46 0.00 4.88 3.64 -0.40 -0.65 116.57 124.50 1qvx h LYS 1018Ca 0.00 -0.64 -0.01 0.00 -1.27 0.00 0.00 60.65 58.73 1qvx h LYS 1018Cb 0.57 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1qvx h LYS 1018CO 0.00 1.27 -0.04 1.57 -2.27 0.00 0.00 179.45 179.99 1qvx h LYS 1019N -0.04 0.00 0.13 1.90 2.10 -0.31 0.15 116.57 120.50 1qvx h LYS 1019Ca -0.15 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.27 1qvx h LYS 1019Cb 1.70 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 33.06 1qvx h LYS 1019CO 0.18 0.04 -0.97 0.37 -2.00 0.00 0.00 179.45 177.07 1qvx h GLN 1020N 0.00 0.44 0.00 0.07 4.15 -1.42 -3.00 115.11 115.35 1qvx h GLN 1020Ca -0.00 -0.64 -0.11 0.00 0.77 0.00 0.00 58.65 58.67 1qvx h GLN 1020Cb 0.48 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 1qvx h GLN 1020CO 0.01 1.28 -0.53 0.00 -1.93 0.00 0.00 178.83 177.65 1qvx h MET 1021N -0.09 0.00 -0.46 1.69 -0.00 -0.73 -2.76 114.93 112.57 1qvx h MET 1021Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.51 1qvx h MET 1021Cb 1.72 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.30 1qvx h MET 1021CO 0.19 0.53 0.17 1.25 -0.00 0.00 0.00 176.91 179.05 1qvx h LEU 1022N 0.00 0.65 -1.33 -0.10 5.85 -0.77 0.64 115.31 120.26 1qvx h LEU 1022Ca -0.01 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 1qvx h LEU 1022Cb 1.15 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1qvx h LEU 1022CO 0.07 0.66 -0.26 0.74 -0.34 0.00 0.00 178.44 179.31 1qvx h THR 1023N 0.61 1.22 0.10 1.05 2.02 -1.47 -1.43 112.91 115.00 1qvx h THR 1023Ca 0.15 -1.02 -0.26 0.00 0.77 0.00 0.00 66.41 66.05 1qvx h THR 1023Cb 0.22 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1qvx h THR 1023CO -0.01 0.30 -1.16 0.00 0.37 0.00 0.00 175.52 175.02 1qvx h ALA 1024N 1.63 0.17 -0.10 6.16 0.00 -1.10 -2.84 119.26 123.18 1qvx h ALA 1024Ca 0.02 -0.84 -0.06 0.00 0.00 0.00 0.00 54.91 54.03 1qvx h ALA 1024Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1qvx h ALA 1024CO 0.04 0.93 -0.20 0.00 0.00 0.00 0.00 179.25 180.01 1qvx h ALA 1025N 0.63 1.47 -0.22 0.00 0.00 0.60 0.25 119.26 121.99 1qvx h ALA 1025Ca -0.12 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1qvx h ALA 1025Cb 1.86 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1qvx h ALA 1025CO 0.19 0.38 -0.28 1.25 0.00 0.00 0.00 179.25 180.79 1qvx h HIS 1026N 0.16 0.47 -0.01 0.00 2.76 -1.21 -0.14 115.15 117.18 1qvx h HIS 1026Ca 0.03 -0.10 -0.22 0.00 -2.20 0.00 0.00 60.37 57.87 1qvx h HIS 1026Cb 0.46 -0.11 0.02 0.00 1.55 0.00 0.00 27.41 29.32 1qvx h HIS 1026CO 0.00 0.66 -0.86 0.00 -1.30 0.00 0.00 177.93 176.44 1qvx h ALA 1027N 1.34 0.11 -0.06 5.26 0.00 -0.93 -2.99 119.26 121.99 1qvx h ALA 1027Ca 0.05 -0.64 -0.14 0.00 0.00 0.00 0.00 54.91 54.18 1qvx h ALA 1027Cb 0.69 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1qvx h ALA 1027CO 0.05 0.56 -0.57 1.25 0.00 0.00 0.00 179.25 180.53 1qvx h LEU 1028N 0.21 0.20 -1.14 0.00 6.46 -0.53 -2.02 115.31 118.49 1qvx h LEU 1028Ca -0.11 -0.11 0.08 0.00 -0.12 0.00 0.00 57.88 57.62 1qvx h LEU 1028Cb 1.54 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 41.34 1qvx h LEU 1028CO 0.17 0.73 0.59 0.00 -0.62 0.00 0.00 178.44 179.32 1qvx h ALA 1029N 1.27 1.55 -0.27 1.25 0.00 -1.06 -0.61 119.26 121.39 1qvx h ALA 1029Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1qvx h ALA 1029Cb 1.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1qvx h ALA 1029CO 0.09 0.29 -0.15 0.28 0.00 0.00 0.00 179.25 179.75 1qvx h VAL 1030N 0.99 1.23 -0.20 0.00 2.07 -1.23 -2.91 116.25 116.20 1qvx h VAL 1030Ca 0.41 -1.05 -0.21 0.00 0.82 0.00 0.00 66.70 66.67 1qvx h VAL 1030Cb 0.30 1.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1qvx h VAL 1030CO -0.17 0.34 -0.71 -2.24 0.02 0.00 0.00 177.57 174.81 1qvx h ASP 1031N 0.43 0.96 0.42 0.57 3.04 -0.59 0.22 116.42 121.46 1qvx h ASP 1031Ca 0.08 -0.59 -0.02 0.00 -3.24 0.00 0.00 57.03 53.26 1qvx h ASP 1031Cb 0.52 -0.28 0.00 0.00 -1.04 0.00 0.00 39.33 38.53 1qvx h ASP 1031CO 0.03 1.39 -0.20 0.00 -2.04 0.00 0.00 179.24 178.42 1qvx h ALA 1032N 0.60 -0.56 0.00 4.15 0.00 -1.48 -2.57 119.26 119.41 1qvx h ALA 1032Ca -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1qvx h ALA 1032Cb 1.33 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1qvx h ALA 1032CO 0.15 -0.79 -0.17 -0.22 0.00 0.00 0.00 179.25 178.22 1qvx h LYS 1033N -0.61 0.00 -0.03 0.00 3.64 -1.41 -1.10 116.57 117.05 1qvx h LYS 1033Ca -0.06 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.16 1qvx h LYS 1033Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1qvx h LYS 1033CO 0.09 0.17 -0.73 -0.97 -2.27 0.00 0.00 179.45 175.74 1qvx h ASN 1034N 0.00 0.22 0.54 4.20 -1.24 -0.49 -2.93 115.58 115.87 1qvx h ASN 1034Ca -0.00 -0.15 -0.21 0.00 0.71 0.00 0.00 56.30 56.65 1qvx h ASN 1034Cb 0.72 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.69 1qvx h ASN 1034CO 0.02 0.87 -0.93 0.25 -1.29 0.00 0.00 177.43 176.36 1qvx h LEU 1035N 0.12 0.33 -0.90 0.34 5.85 -0.97 -2.54 115.31 117.54 1qvx h LEU 1035Ca -0.02 -0.28 0.22 0.00 0.84 0.00 0.00 57.88 58.64 1qvx h LEU 1035Cb 1.29 -0.10 -0.12 0.00 0.37 0.00 0.00 40.66 42.09 1qvx h LEU 1035CO 0.11 1.09 0.40 0.25 -0.34 0.00 0.00 178.44 179.95 1qvx h LEU 1036N 0.13 0.36 -0.10 2.25 7.12 -1.05 0.54 115.31 124.55 1qvx h LEU 1036Ca -0.06 0.15 -0.10 0.00 0.13 0.00 0.00 57.88 58.00 1qvx h LEU 1036Cb 1.57 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.82 1qvx h LEU 1036CO 0.15 0.02 -0.31 -0.78 -0.13 0.00 0.00 178.44 177.38 1qvx h ASP 1037N 0.42 0.46 -0.10 1.25 3.58 -1.45 -1.13 116.42 119.45 1qvx h ASP 1037Ca 0.56 -0.60 0.02 0.00 0.42 0.00 0.00 57.03 57.43 1qvx h ASP 1037Cb 1.05 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.92 1qvx h ASP 1037CO -0.52 0.98 -0.35 0.58 -2.88 0.00 0.00 179.24 177.05 1qvx h VAL 1038N -0.04 0.00 0.00 2.25 2.07 -0.44 -0.27 116.25 119.82 1qvx h VAL 1038Ca -0.01 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.33 1qvx h VAL 1038Cb 0.93 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1qvx h VAL 1038CO 0.07 0.00 -0.85 0.16 0.02 0.00 0.00 177.57 176.97 1qvx h ILE 1039N -0.37 1.51 -0.55 4.57 -0.00 -0.15 1.32 117.51 123.84 1qvx h ILE 1039Ca 0.02 -2.99 0.11 0.00 -0.00 0.00 0.00 64.86 62.00 1qvx h ILE 1039Cb 0.44 2.66 -0.09 0.00 -0.00 0.00 0.00 36.82 39.82 1qvx h ILE 1039CO -0.29 0.83 -0.01 -0.78 -0.00 0.00 0.00 178.15 177.90 1qvx h ASP 1040N 0.00 -0.26 0.54 2.16 1.82 -1.18 -0.57 116.42 118.93 1qvx h ASP 1040Ca -0.01 0.14 -0.18 0.00 -0.39 0.00 0.00 57.03 56.59 1qvx h ASP 1040Cb 1.59 0.25 -0.01 0.00 0.68 0.00 0.00 39.33 41.83 1qvx h ASP 1040CO 0.11 -0.10 -0.79 1.56 -1.61 0.00 0.00 179.24 178.42 1qvx h GLN 1041N 0.11 0.19 -0.04 0.28 4.20 -0.58 -3.16 115.11 116.10 1qvx h GLN 1041Ca 0.28 -0.18 0.04 0.00 0.06 0.00 0.00 58.65 58.85 1qvx h GLN 1041Cb 0.44 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.21 1qvx h GLN 1041CO -0.48 0.88 -0.33 0.00 -0.67 0.00 0.00 178.83 178.23 1qvx h ALA 1042N 1.06 -0.46 -0.82 3.87 0.00 0.31 1.95 119.26 125.17 1qvx h ALA 1042Ca -0.03 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.01 1qvx h ALA 1042Cb 1.37 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 19.71 1qvx h ALA 1042CO 0.12 -0.84 0.53 -0.09 0.00 0.00 0.00 179.25 178.98 1qvx h ARG 1043N -0.46 0.58 0.00 0.00 9.65 -1.25 0.15 114.38 123.05 1qvx h ARG 1043Ca 0.07 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.82 1qvx h ARG 1043Cb 0.57 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 1qvx h ARG 1043CO -0.30 0.38 -0.46 1.25 2.80 0.00 0.00 179.97 183.64 1qvx h LEU 1044N 0.60 0.00 -1.24 3.80 6.46 -0.71 -2.97 115.31 121.25 1qvx h LEU 1044Ca 0.40 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 58.09 1qvx h LEU 1044Cb 0.70 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 1qvx h LEU 1044CO -0.16 0.46 -0.17 0.11 -0.62 0.00 0.00 178.44 178.06 1qvx h LYS 1045N 0.00 0.31 -0.73 1.25 1.79 0.57 0.46 116.57 120.23 1qvx h LYS 1045Ca -0.00 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.31 1qvx h LYS 1045Cb 1.10 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.69 1qvx h LYS 1045CO 0.06 0.48 0.19 1.98 -1.08 0.00 0.00 179.45 181.08 1qvx h MET 1046N 0.29 1.15 -0.49 3.15 4.05 -1.11 0.98 114.93 122.96 1qvx h MET 1046Ca 0.05 -0.27 -0.07 0.00 -0.28 0.00 0.00 59.70 59.13 1qvx h MET 1046Cb 0.48 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 1qvx h MET 1046CO 0.03 1.01 0.01 0.82 0.23 0.00 0.00 176.91 179.01 1qvx h ILE 1047N 1.10 1.24 -0.78 1.77 1.08 -1.16 -1.94 117.51 118.82 1qvx h ILE 1047Ca 0.23 -0.99 0.03 0.00 -0.39 0.00 0.00 64.86 63.73 1qvx h ILE 1047Cb 0.36 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 34.92 1qvx h ILE 1047CO 0.00 0.35 0.51 -1.28 -0.69 0.00 0.00 178.15 177.05 1qvx h SER 1048N 0.76 0.85 0.67 1.72 0.87 0.94 0.61 113.55 119.96 1qvx h SER 1048Ca 0.15 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 1qvx h SER 1048Cb 0.44 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1qvx h SER 1048CO 0.02 0.59 -0.60 -0.61 -0.53 0.00 0.00 176.83 175.70 1qvx h GLN 1049N 0.99 0.00 0.04 2.24 -0.00 -0.45 -2.92 115.11 115.00 1qvx h GLN 1049Ca 0.30 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.69 1qvx h GLN 1049Cb -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.44 1qvx h GLN 1049CO -0.08 0.60 -1.38 0.77 0.00 0.00 0.00 178.83 178.73 1qvx h SER 1050N 0.00 0.13 -1.33 -0.69 0.02 -0.41 -3.44 113.55 107.82 1qvx h SER 1050Ca -0.01 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1qvx h SER 1050Cb 1.09 -0.04 -0.24 0.00 0.14 0.00 0.00 62.40 63.35 1qvx h SER 1050CO 0.08 1.16 -0.40 -0.60 -1.14 0.00 0.00 176.83 175.93 1qvx s ARG 1051N -2.65 0.49 -0.11 3.45 6.06 0.20 -5.03 118.95 121.36 1qvx s ARG 1051Ca -0.04 0.61 0.05 0.00 -2.50 0.00 0.00 55.73 53.85 1qvx s ARG 1051Cb 0.08 0.08 0.33 0.00 0.06 0.00 0.00 34.95 35.51 1qvx s ARG 1051CO 0.83 -0.82 1.07 -0.35 -2.50 0.00 0.00 175.30 173.53 1qvx n PRO 1052N 5.40 2.49 0.00 5.12 -0.04 -1.11 -4.20 135.00 142.66 1qvx n PRO 1052Ca 0.00 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.16 1qvx n PRO 1052Cb 0.51 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1qvx n PRO 1052CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04